5XL0
met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-28 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.261, 30.854, 64.130 |
Unit cell angles | 90.00, 105.36, 90.00 |
Refinement procedure
Resolution | 30.920 - 1.250 |
R-factor | 0.1632 |
Rwork | 0.163 |
R-free | 0.17330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.958 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.040 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Number of reflections | 72066 | |
<I/σ(I)> | 15.9 | |
Completeness [%] | 99.8 | |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 277 | 2.9 M ammonium sulfate, 0.1 M Bis-Tris-propane HCl buffer |